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Ligand · UMZ

UMZ · 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole

UMZ, 3-(2-pyrimidin-4-ylethyl)-1~{H}-indole (C14 H13 N3, 223.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
UMZ
Formula
C14 H13 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

UMZ in 2 structures; the first of them:

  • 7NQM · Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 10 · UMZ A402 · binds MET62, THR77, VAL78, VAL82, VAL83, ALA167, PHE168, TRP182 and 5 more
  • 7NQM · Mycobacterium tuberculosis cytochrome P450 CYP121 in complex with lead compound 10 · UMZ A402 · binds THR77, VAL78, VAL82, VAL83, ALA167, PHE168, THR229, GLN385

Residues it binds most

VAL 2, THR 2, ALA 2, GLN 2, PHE 2, GLY 1, MET 1, TRP 1 (residue and the binding sites it lines).

Found with

  • HEC · Heme C
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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